N,N'-bis(cyclopentylmethyl)propane-1,3-diamine

C15H30N2 — CID 6480882

IUPACN,N'-bis(cyclopentylmethyl)propane-1,3-diamine
SMILESC(CNCC1CCCC1)CNCC1CCCC1
InChIInChI=1S/C15H30N2/c1-2-7-14(6-1)12-16-10-5-11-17-13-15-8-3-4-9-15/h14-17H,1-13H2
InChIKeyGXUDTJSTHCKWQP-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.94
Rot. Bonds8

About N,N'-bis(cyclopentylmethyl)propane-1,3-diamine

N,N'-bis(cyclopentylmethyl)propane-1,3-diamine (PubChem CID 6480882) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,N'-bis(cyclopentylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(cyclopentylmethyl)propane-1,3-diamine
PubChem CID6480882
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,N'-bis(cyclopentylmethyl)propane-1,3-diamine
SMILESC(CNCC1CCCC1)CNCC1CCCC1
InChIInChI=1S/C15H30N2/c1-2-7-14(6-1)12-16-10-5-11-17-13-15-8-3-4-9-15/h14-17H,1-13H2
InChIKeyGXUDTJSTHCKWQP-UHFFFAOYSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(cyclopentylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(cyclopentylmethyl)propane-1,3-diamine (CID 6480882) is N,N'-bis(cyclopentylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(cyclopentylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(cyclopentylmethyl)propane-1,3-diamine is C(CNCC1CCCC1)CNCC1CCCC1.
What is the InChIKey of N,N'-bis(cyclopentylmethyl)propane-1,3-diamine?
The InChIKey is GXUDTJSTHCKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-7-14(6-1)12-16-10-5-11-17-13-15-8-3-4-9-15/h14-17H,1-13H2.
What are the key properties of N,N'-bis(cyclopentylmethyl)propane-1,3-diamine?
N,N'-bis(cyclopentylmethyl)propane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclopentylmethyl)propane-1,3-diamine is sourced from PubChem (CID 6480882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).